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Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate
TL;DR: Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate (CAS 477854-62-9) is a chemical compound with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine-5-carboxylate
Also Known As: Bionet1_004003, DivK1c_002499, CDS1_001459, ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate, 11M-534S
| Molecular Formula | C20H18N2O3S |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 4.4801 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.10382 |
| Heavy Atoms | 26 |
| Complexity | 883.31793 |
Chemical Identifiers
| CAS Number | 477854-62-9 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1SC2=CC=C(C=C2)OC)C3=CC=CC=C3 |
Product Overview
Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate (CAS 477854-62-9), with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol. IUPAC: ethyl 4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate
Property Insights of Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate
The XLogP value of 4.4801 indicates that Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate?
The CAS number of Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate is 477854-62-9.
What is the molecular formula of Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate?
The molecular formula of Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate is C20H18N2O3S.
What is the molecular weight of Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate?
The molecular weight of Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate is 366.10 g/mol.
Where can I buy Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate?
You can request a quote for Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.